#!/bin/csh -f

if( ! $?TESTsander ) set TESTsander = "../../exe/pbsa"
                                                                                
if( ! $?DO_PARALLEL ) then
        setenv DO_PARALLEL " "
else
    echo "This test not set up for parallel"
    echo " cannot run in parallel with pbsa"
    exit 0
endif

cat > mdin <<EOF
 test of PB implicit solvent on 1tsr b-chain
 &cntrl 
   ntx=1, imin=1, igb=10, 
 /   
 &pb
   npbverb=0, istrng=0, epsout=80.0, epsin=1.0, space=1.0,
   accept=0.001, sprob=1.6, radiopt=1, cutnb=9.0
 /   
EOF

set output = mdout.tsrb.min

$DO_PARALLEL $TESTsander -O -i mdin -p prmtop -c tsrb.rst  -o $output < /dev/null || goto error
                                                                                
../dacdif $output.save $output
/bin/rm -f mdin restrt mdinfo mdcrd
exit(0)
                                                                                
error:
echo "  ${0}:  Program error"
exit(1)


